SCHEMBL1785394

SCHEMBL1785394

CCCCC(C)(C)C(OC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
FDPS P14324 1/20 0.31
CES1 P23141 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
FAAH O00519 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1783496 0.88 LMNA (0.34) CA2CA1ALDH1A1
SCHEMBL1785012 0.79
SCHEMBL1784991 0.74 PTGS1 (0.35) CA2CA1MAPK1FDPSCES1
SCHEMBL19545942 0.74
SCHEMBL5527513 0.72 FFAR1 (0.39) MEN1KMT2ACYP4F2CYP4A11
SCHEMBL5320678 0.71 LMNA (0.37)
SCHEMBL1785886 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1786499 0.68 CES2 (0.38) FDPS
SCHEMBL9430173 0.68 TSHR (0.32) ALDH1A1MAPK1ATML3MBTL1
SCHEMBL13412811 0.67 OPRM1 (0.31) FDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CA2 3566/4885CA1 3505/4885ALDH1A1 520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.